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23694-21-5 | 1-Propanone, 1-(3,4-dimethoxyphenyl)-3-(dimethylamino)-, hydrochloride (1:1)
CAS No: 23694-21-5 Catalog No: AG002O5M MDL No:
Product Description
Catalog Number:
AG002O5M
Chemical Name:
1-Propanone, 1-(3,4-dimethoxyphenyl)-3-(dimethylamino)-, hydrochloride (1:1)
CAS Number:
23694-21-5
Molecular Formula:
C13H20ClNO3
Molecular Weight:
273.7558
IUPAC Name:
1-(3,4-dimethoxyphenyl)-3-(dimethylamino)propan-1-one;hydrochloride
InChI:
InChI=1S/C13H19NO3.ClH/c1-14(2)8-7-11(15)10-5-6-12(16-3)13(9-10)17-4;/h5-6,9H,7-8H2,1-4H3;1H
InChI Key:
TVOKIQJTBBXSOE-UHFFFAOYSA-N
SMILES:
COc1cc(ccc1OC)C(=O)CCN(C)C.Cl
NSC Number:
201526
Properties
Complexity:
243
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
273.113g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
273.757g/mol
Monoisotopic Mass:
273.113g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
38.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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